C261H185NSi4 — CID 158196549
[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]-triphenylsilane;[4-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-quinolin-4-ylphenyl]phenyl]-triphenylsilane (PubChem CID 158196549) has the molecular formula C261H185NSi4 and a molecular weight of 3447.70 g/mol. Its IUPAC name is [4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]-triphenylsilane;[4-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-quinolin-4-ylphenyl]phenyl]-triphenylsilane.
| Compound Name | [4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]-triphenylsilane;[4-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-quinolin-4-ylphenyl]phenyl]-triphenylsilane |
|---|---|
| PubChem CID | 158196549 |
| Molecular Formula | C261H185NSi4 |
| Molecular Weight | 3447.70 g/mol |
| Exact Mass | 3444.36 |
| IUPAC Name | [4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]-triphenylsilane;[4-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-quinolin-4-ylphenyl]phenyl]-triphenylsilane |
| SMILES | CC1(C)c2cc(-c3cc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc(-c4ccnc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cc(-c4ccc5ccccc5c4)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cc(-c4cccc5ccccc45)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc21 |
| InChI | InChI=1S/C70H49NSi.2C65H46Si.C61H44Si/c1-70(2)65-44-50(31-36-61(65)62-37-32-51(45-66(62)70)59-35-29-49-26-25-47-15-14-16-48-30-38-64(59)69(49)68(47)48)53-41-52(42-54(43-53)60-39-40-71-67-24-13-12-23-63(60)67)46-27-33-58(34-28-46)72(55-17-6-3-7-18-55,56-19-8-4-9-20-56)57-21-10-5-11-22-57;1-65(2)61-41-47(32-35-58(61)59-36-33-48(42-62(59)65)57-34-30-46-29-28-44-18-14-19-45-31-37-60(57)64(46)63(44)45)49-38-50(56-27-15-17-43-16-12-13-26-55(43)56)40-54(39-49)66(51-20-6-3-7-21-51,52-22-8-4-9-23-52)53-24-10-5-11-25-53;1-65(2)61-41-49(31-34-58(61)59-35-32-50(42-62(59)65)57-33-29-46-27-26-44-17-14-18-45-30-36-60(57)64(46)63(44)45)52-38-51(48-28-25-43-15-12-13-16-47(43)37-48)39-56(40-52)66(53-19-6-3-7-20-53,54-21-8-4-9-22-54)55-23-10-5-11-24-55;1-61(2)57-39-45(41-23-31-50(32-24-41)62(47-17-9-4-10-18-47,48-19-11-5-12-20-48)49-21-13-6-14-22-49)29-35-53(57)54-36-30-46(40-58(54)61)52-34-26-44-27-37-55-51(42-15-7-3-8-16-42)33-25-43-28-38-56(52)60(44)59(43)55/h3-45H,1-2H3;2*3-42H,1-2H3;3-40H,1-2H3 |
| InChIKey | GAKDVVFCSUVOIT-UHFFFAOYSA-N |
| XLogP | 57.60 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 266 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3447.70 |
| LogP ≤ 5 | 57.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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